(1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, (+-)-, compd. with cyclohexanamine (1:1)
Basic information
- CAS
161692-94-0- Standard SMILES
CC(CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)O.NC1CCCCC1- InChIKey
LFJBVSYVIKGQGO-UHFFFAOYSA-N- Molecular formula
- C23H27F2NO3
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.19590005
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, (+-)-, compd. with cyclohexanamine (1:1)
- IUPAC
- cyclohexanamine;4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid
Names & synonyms
161692-94-0RefChem:203989DTXSID309365804-(2',4'-Difluoro[1,1'-biphenyl]-4-yl)-2-methyl-4-oxobutanoic acid--cyclohexanamine (1/1)
Database identifiers
- CAS
161692-94-0- PubChem CID
- 3074789
- DTXSID
DTXSID30936580
Properties
Computed structural properties
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 451
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Compound notes
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